| Formula |
C26H25N5O2 |
| IUPAC Name |
1-[(1s,3s)-1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-3-piperidyl]-3-ethyl-benzimidazole-1,3-diium-2-one |
| Molecular Mass |
439.509 g·mol−1 |
| Heat of Formation |
127.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.81 ± 1.08 D |
| Volume |
517.92 Å 3 |
| Surface Area |
439.05 Å 2 |
| HOMO Energy |
-8.49 ± 0.55 eV |
| LUMO Energy |
1.98 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
NXTBLPPTZRPJCA-IBGZPJMESA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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